CAS RN: 2721-22-4
δ-Tetradecanolactone
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250206 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Chongqing, Shandong, Guangdong | Inquiry |
- Product code: ICTT1129
- Purity/Analytical Methods: >98.0%(GC)
2721-22-4 / 6-nonyloxan-2-one
Basic Information
CAS
2721-22-4
Multi CAS
No
Molecular Formula
C14H26O2
Molecular Weight
226.350000
Exact Mass
226.193280
SMILES
CCCCCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
InChIKey
SKQYTJLYRIFFCO-UHFFFAOYSA-N
Physical Properties
Melting Point
14 °C
Boiling Point
130.00 to 135.00 °C. @ 5.00 mm Hg
Density
0.932-0.969
Physical Description
Liquid
colourless to pale yellow liquid with a soft, creamy, musky butter-like odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
66.34
TPSA
26.3
LogP / Solubility
WLOGP
4.22
MLOGP
3.72
XLogP3
4.7
Consensus LogP
4.21
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
